Geometry & MOs

Info

ID:	444357
PubChem CID:	135262188
Reduced:	FN7C23H26 (1)
Stoich.:	AB7C23D26 (1)
Weight, g/mol:	481.167394
ΔH_f, kcal/mol:	85.09
Dipole, Da:	2.69
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-[[2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridin-3-yl]-formylamino]propanoate

Drug info:

PubChemData

Smile

CC(C(C)(C)C)NCC1=C2C(=NC(=NN2C=C1)C3=CC=CC=N3)NC4=C(C=NC=C4)F

DOS

IR

Vibrations